Tert-butyl 4-bromo-2-fluorobenzylcarbamate

Base Information

• Chemical Name: Tert-butyl 4-bromo-2-fluorobenzylcarbamate
• CAS No.: 864262-97-5
• Molecular Formula: C12H15BrFNO2
• Molecular Weight: 304.159
• DSSTox Substance ID: DTXSID30700586
• Wikidata: Q82632007
• Mol file: 864262-97-5.mol

Synonyms:864262-97-5;TERT-BUTYL 4-BROMO-2-FLUOROBENZYLCARBAMATE;tert-butyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate;tert-butyl N-[(4-bromo-2-fluoro-phenyl)methyl]carbamate;tert-butyl4-bromo-2-fluorobenzylcarbamate;SCHEMBL506329;DTXSID30700586;DTYUGOHKMHFOMT-UHFFFAOYSA-N;MFCD08703144;AKOS015959142;CS-W000289;tert-butyl 4-bromo-2-fluorobenzyl-carbamate;tert-butyl (4-bromo-2-fluorobenzyl)carbamate;D77589;EN300-185423;4-bromo-N-(tert-butoxycarbonyl)-2-fluoro-benzylamine;tert-Butyl [(4-bromo-2-fluorophenyl)methyl]carbamate;(4-bromo-2-fluorobenzyl)-carbamic acid tert-butyl ester;Carbamic acid,[(4-bromo-2-fluorophenyl)methyl]-,1,1-dimethylethyl ester(9ci)

Chemical Property of Tert-butyl 4-bromo-2-fluorobenzylcarbamate

Chemical Property:

• Boiling Point: 371.3 °C at 760 mmHg
• Flash Point: 178.3 °C
• Density: 1.376 g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 303.02702
• Heavy Atom Count: 17
• Complexity: 268

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl 4-bromo-2-fluorobenzylcarbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC1=C(C=C(C=C1)Br)F

Technology Process of Tert-butyl 4-bromo-2-fluorobenzylcarbamate

There total 6 articles about Tert-butyl 4-bromo-2-fluorobenzylcarbamate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

di-tert-butyl dicarbonate (24424-99-5) + 4-bromo-2-fluorobenzylamine (112734-22-2) → tert-butyl N-[(4-bromo-2-fluoro-phenyl)methyl]carbamate (864262-97-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 20 ℃;

DOI:10.1002/cmdc.201800242

Reference yield: 96.0%

di-tert-butyl dicarbonate (24424-99-5) + (4-bromo-2-fluorophenyl)methanamine mono HCl salt → tert-butyl N-[(4-bromo-2-fluoro-phenyl)methyl]carbamate (864262-97-5)

Guidance literature:

With triethylamine; In 1,4-dioxane; water; at 20 ℃; for 48h;

Reference yield: 43.0%

tert-butyl carbazate (4248-19-5) + 4-bromo-2-fluorobenzaldehyde (57848-46-1) → tert-butyl N-[(4-bromo-2-fluoro-phenyl)methyl]carbamate (864262-97-5)

Guidance literature:

With triethylsilane; trifluoroacetic acid; In dichloromethane; acetonitrile; at 20 ℃; for 18h;

DOI:10.1055/s-0040-1707400

upstream raw materials:

di-tert-butyl dicarbonate

4-bromo-2-fluorobenzylamine

4-bromo-6-fluorobenzonitrile

tert-butyl carbazate

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